Quantification of octanol–water partition coefficients of several aldehydes in a bubble column using selected ion flow tube mass spectrometry

Abstract

The octanol–water partition coefficient, KOW, of 2-heptenal, 2-octenal, 2-nonenal, 2-nonanone and octanal was obtained from headspace vapour concentrations in a bubble column determined by selected ion flow tube mass spectrometry (SIFT-MS) with and without addition of 1-octanol to the water solution. Experimental values for logKOW at 299K range from 2.06±0.12 (2-heptenal) to 2.31±0.14 (1-octanal). Partition enthalpies, −Δ0Hw→o, of 19.9±6.2kJmol−1 (1-octanal) up to 118.1±8.5kJmol−1 (2-nonanone) were obtained. In conjunction to the determination of KOW, Henry's law coefficients of (2.76±0.38)×10−3molgmollmg−3ml3 for 2-heptenal to (2.79±0.16)×10−2molgmollmg−3ml3 for 1-octanal were experimentally obtained.